Crystallography Open Database

Information card for entry 7123941

Preview

Coordinates	7123941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H10 B2 F20
Calculated formula	C39 H10 B2 F20
Title of publication	Arylallenes and the Halogeno-B(C6F5)2 Reagents: Facile Formation of 2-Borylindenes
Authors of publication	Tao, Xin; Daniliuc, Constantin Gabriel; Soloviova, Kateryna; Strassert, Cristian Alejandro; Kehr, Gerald; Erker, Gerhard
Journal of publication	Chemical Communications
Year of publication	2019
a	16.302 ± 0.0004 Å
b	31.6317 ± 0.0011 Å
c	6.8859 ± 0.0003 Å
α	90°
β	104.037 ± 0.001°
γ	90°
Cell volume	3444.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1235
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1623
Goodness-of-fit parameter for all reflections included in the refinement	1.145
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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